N7-(2,5-dimethoxyphenyl)-4-nitro-N5-(phenylmethyl)-2,1,3-benzoxadiazole-5,7-diamine

Systemtic Name: N7-(2,5-dimethoxyphenyl)-4-nitro-N5-(phenylmethyl)-2,1,3-benzoxadiazole-5,7-diamine Openeye Name: N5-benzyl-N7-(2,5-dimethoxyphenyl)-4-nitro-2,1,3-benzoxadiazole-5,7-diamine CAS Name: N7-(2,5-dimethoxyphenyl)-4-nitro-N5-(phenylmethyl)-2,1,3-benzoxadiazole-5,7-diamine IUPAC Name: 5-N-benzyl-7-N-(2,5-dimethoxyphenyl)-4-nitro-2,1,3-benzoxadiazole-5,7-diamine Traditional Name: benzyl-[7-(2,5-dimethoxyanilino)-4-nitro-benzofurazan-5-yl]amine Formula: C21H19N5O5 MolecularWeight: 421.40606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCC4=CC=CC=C4

InChI

InChI=1S/C21H19N5O5/c1-29-14-8-9-18(30-2)15(10-14)23-16-11-17(22-12-13-6-4-3-5-7-13)21(26(27)28)20-19(16)24-31-25-20/h3-11,22-23H,12H2,1-2H3